Compound Detail
CHEMBL3978941
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3978941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVNHHTCMMKAHRA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 5.19 | 5710.0 | 2 |
| DU-145 CHEMBL613508 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5710.0 | nM | 5.24 | Cytotoxicity against human DU145 cells assessed as reduction in cell viability m... | 28029457 |
| DU-145 | IC50 | = | 5700.0 | nM | 5.24 | Antitumor activity against human DU-145 cells assessed as cell growth inhibition | 36858050 |
| NON-PROTEIN TARGET | IC50 | = | 7310.0 | nM | 5.14 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability me... | 28029457 |
| MCF7 | IC50 | = | 7300.0 | nM | 5.14 | Antitumor activity against human MCF7 cells assessed as cell growth inhibition | 36858050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28029457 | 10.1016/j.bmc.2016.10.018 | No relevant target | 5 |
| 28029457 | 10.1016/j.bmc.2016.10.018 | NON-PROTEIN TARGET | 4 |
| 29894943 | 10.1016/j.ejmech.2018.06.007 | Escherichia coli | 3 |
| 28029457 | 10.1016/j.bmc.2016.10.018 | Unchecked | 1 |
| 29894943 | 10.1016/j.ejmech.2018.06.007 | Unchecked | 1 |
| 36858050 | 10.1021/acs.jmedchem.2c01406 | MCF7 | 1 |
| 36858050 | 10.1021/acs.jmedchem.2c01406 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine